![91T 91T](https://data.pdbj.org/pdbjplus/data/cc/svg/91T.svg) | 91T | Name: | [[(2~{R},3~{S},5~{R})-5-[4-[(4~{R})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C14 H21 N2 O16 P3 | SMILES: | OC[CH](O)CC#Cc1cn([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)c(c1)[N+]([O-])=O | InChi: | InChI=1S/C14H21N2O16P3/c17-7-10(18)3-1-2-9-4-13(16(20)21)15(6-9)14-5-11(19)12(30-14)8-29-34(25,26)32-35(27,28)31-33(22,23)24/h4,6,10-12,14,17-19H,3,5,7-8H2,(H,25,26)(H,27,28)(H2,22,23,24)/t10-,11+,12-,14-/m1/s1 | Definition date: | 2017-03-31 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | [[(2~{R},3~{S},5~{R})-5-[4-[(4~{R})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![92D 92D](https://data.pdbj.org/pdbjplus/data/cc/svg/92D.svg) | 92D | Name: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide | Formula: | C26 H30 N4 O2 | SMILES: | c1(ccc(cc1c3cc(N2CCOCC2)ncn3)C(Nc4cc(ccc4)C(C)(C)C)=O)C | InChi: | InChI=1S/C26H30N4O2/c1-18-8-9-19(25(31)29-21-7-5-6-20(15-21)26(2,3)4)14-22(18)23-16-24(28-17-27-23)30-10-12-32-13-11-30/h5-9,14-17H,10-13H2,1-4H3,(H,29,31) | Definition date: | 2017-03-29 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide |
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![92J 92J](https://data.pdbj.org/pdbjplus/data/cc/svg/92J.svg) | 92J | Name: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide | Formula: | C28 H29 F3 N4 O4 | SMILES: | c1(ncc(cc1c3cnc(c(N2CCOCC2)c3)OC4CCOCC4)NC(c5cccc(C(F)(F)F)c5)=O)C | InChi: | InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | Definition date: | 2017-03-29 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide |
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![89J 89J](https://data.pdbj.org/pdbjplus/data/cc/svg/89J.svg) | 89J | Name: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one | Formula: | C12 H13 N3 O | SMILES: | c1ccccc1C=2C(=CC(N(C)N=2)=O)NC | InChi: | InChI=1S/C12H13N3O/c1-13-10-8-11(16)15(2)14-12(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3 | Definition date: | 2017-01-12 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one |
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![8HV 8HV](https://data.pdbj.org/pdbjplus/data/cc/svg/8HV.svg) | 8HV | Name: | 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide | Formula: | C24 H26 F N3 O3 | SMILES: | N(C(n2cc1c(ccc(F)c1)c2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)(O)C)cc4 | InChi: | InChI=1S/C24H26FN3O3/c1-24(2,31)22(29)27-11-9-17(10-12-27)16-4-7-21(8-5-16)26-23(30)28-14-18-3-6-20(25)13-19(18)15-28/h3-8,13-15,17,31H,9-12H2,1-2H3,(H,26,30) | Definition date: | 2017-02-09 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide |
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![8HW 8HW](https://data.pdbj.org/pdbjplus/data/cc/svg/8HW.svg) | 8HW | Name: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid | Formula: | C27 H25 F2 N O6 | SMILES: | Cc1c(COc2cc(F)c(CNCC(=O)CC(O)=O)cc2F)cccc1c3ccc4OCCOc4c3 | InChi: | InChI=1S/C27H25F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,30H,7-8,11,13-15H2,1H3,(H,32,33) | Definition date: | 2017-02-07 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid |
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![8HY 8HY](https://data.pdbj.org/pdbjplus/data/cc/svg/8HY.svg) | 8HY | Name: | N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide | Formula: | C25 H23 N3 O2 | SMILES: | N(C(c1ccc(cc1)NC(n3cc2c(cccc2)c3)=O)=O)CCCc4ccccc4 | InChi: | InChI=1S/C25H23N3O2/c29-24(26-16-6-9-19-7-2-1-3-8-19)20-12-14-23(15-13-20)27-25(30)28-17-21-10-4-5-11-22(21)18-28/h1-5,7-8,10-15,17-18H,6,9,16H2,(H,26,29)(H,27,30) | Definition date: | 2017-02-09 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide |
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![8J8 8J8](https://data.pdbj.org/pdbjplus/data/cc/svg/8J8.svg) | 8J8 | Name: | ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | Formula: | C27 H32 N2 O4 | SMILES: | COc1cc(OCc2cccc(c2C)c3ccccc3)cc(OC)c1CNCCNC(C)=O | InChi: | InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30) | Definition date: | 2017-02-08 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide |
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![8NQ 8NQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8NQ.svg) | 8NQ | Name: | 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide | Formula: | C21 H19 Br N6 O3 | SMILES: | NC(=O)c1nn(CC(=O)N2[CH]3C[CH]3C[CH]2C(=O)Nc4cccc(Br)n4)c5ccccc15 | InChi: | InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1 | Definition date: | 2017-02-13 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide |
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![9BA 9BA](https://data.pdbj.org/pdbjplus/data/cc/svg/9BA.svg) | 9BA | Name: | N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide | Formula: | C28 H44 N8 O5 | SMILES: | CN/C(NCCCC1NC(=O)C(C)(NC(=O)C(C)C)CCNC(C(NC(C(NC1=O)CC)=O)c2ccccc2)=O)=N | InChi: | InChI=1S/C28H44N8O5/c1-6-19-23(38)35-21(18-11-8-7-9-12-18)25(40)31-16-14-28(4,36-22(37)17(2)3)26(41)34-20(24(39)33-19)13-10-15-32-27(29)30-5/h7-9,11-12,17,19-21H,6,10,13-16H2,1-5H3,(H,31,40)(H,33,39)(H,34,41)(H,35,38)(H,36,37)(H3,29,30,32)/t19-,20-,21+,28+/m0/s1 | Definition date: | 2017-04-17 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide |
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![9F8 9F8](https://data.pdbj.org/pdbjplus/data/cc/svg/9F8.svg) | 9F8 | Name: | 3-(3-methylindol-1-yl)propanoic acid | Formula: | C12 H13 N O2 | SMILES: | Cc1cn(CCC(O)=O)c2ccccc12 | InChi: | InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15) | Definition date: | 2017-05-16 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 3-(3-methylindol-1-yl)propanoic acid |
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![9FE 9FE](https://data.pdbj.org/pdbjplus/data/cc/svg/9FE.svg) | 9FE | Name: | 3-bromanyl-1~{H}-indazole-5-carboxylic acid | Formula: | C8 H5 Br N2 O2 | SMILES: | OC(=O)c1ccc2[nH]nc(Br)c2c1 | InChi: | InChI=1S/C8H5BrN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13) | Definition date: | 2017-05-16 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 3-bromanyl-1~{H}-indazole-5-carboxylic acid |
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![9FH 9FH](https://data.pdbj.org/pdbjplus/data/cc/svg/9FH.svg) | 9FH | Name: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid | Formula: | C11 H10 N2 O2 | SMILES: | Cc1n(ncc1C(O)=O)c2ccccc2 | InChi: | InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15) | Definition date: | 2017-05-16 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid |
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![9FN 9FN](https://data.pdbj.org/pdbjplus/data/cc/svg/9FN.svg) | 9FN | Name: | 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid | Formula: | C14 H8 Cl N O5 | SMILES: | OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O | InChi: | InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19) | Definition date: | 2017-05-17 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid |
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![6SG 6SG](https://data.pdbj.org/pdbjplus/data/cc/svg/6SG.svg) | 6SG | Name: | S-[N-(ferrocenylmethyl)carbamoylmethyl]-glutathione | Formula: | C23 H22 Fe N4 O7 S | SMILES: | [Fe].N[CH](CC[CH](O)NC(=CSCC(=O)NCC1C=CC=C1)C(=O)NCC(O)=O)C(O)=O.C2C=CC=C2 | InChi: | InChI=1S/C18H21N4O7S.C5H.Fe/c19-12(18(28)29)5-6-14(23)22-13(17(27)21-8-16(25)26)9-30-10-15(24)20-7-11-3-1-2-4-11 | Definition date: | 2016-06-15 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | (2~{S},5~{S})-2-azanyl-5-[[(~{Z})-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-1-[2-oxidanylidene-2-(spiro[1$l^{10}-ferrapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexa-2,4-diene-1,1'-1$l^{10}-ferrapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexa-3,5-diene]-2'-ylmethylamino)ethyl]sulfanyl-prop-1-en-2-yl]amino]-5-oxidanyl-pentanoic acid |
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![6U1 6U1](https://data.pdbj.org/pdbjplus/data/cc/svg/6U1.svg) | 6U1 | Name: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide | Formula: | C19 H17 N5 O3 S2 | SMILES: | C[S](=O)(=O)Nc1cccc(CC(=O)Nc2scc(n2)c3c[nH]c4ncccc34)c1 | InChi: | InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25) | Definition date: | 2016-06-23 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide |
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![6U2 6U2](https://data.pdbj.org/pdbjplus/data/cc/svg/6U2.svg) | 6U2 | Name: | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide | Formula: | C26 H30 N6 O2 S | SMILES: | CN1CCN(CCCOc2cccc(CC(=O)Nc3scc(n3)c4c[nH]c5ncccc45)c2)CC1 | InChi: | InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33) | Definition date: | 2016-06-23 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide |
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![6UU 6UU](https://data.pdbj.org/pdbjplus/data/cc/svg/6UU.svg) | 6UU | Name: | [2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid | Formula: | C10 H13 N2 O3 P | SMILES: | O[P](O)(=O)NCCc1c[nH]c2ccccc12 | InChi: | InChI=1S/C10H13N2O3P/c13-16(14,15)12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H3,12,13,14,15) | Definition date: | 2016-06-28 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | [2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid |
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![F62 F62](https://data.pdbj.org/pdbjplus/data/cc/svg/F62.svg) | F62 | Name: | N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | Formula: | C29 H31 N7 O3 | SMILES: | COc1cc(ccc1Nc2ncc3C(=CC(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)C)N5CCN(C)CC5 | InChi: | InChI=1S/C29H31N7O3/c1-5-26(37)31-20-7-6-8-22(16-20)36-27(38)15-19(2)23-18-30-29(33-28(23)36)32-24-10-9-21(17-25(24)39-4)35-13-11-34(3)12-14-35/h5-10,15-18H,1,11-14H2,2-4H3,(H,31,37)(H,30,32,33) | Definition date: | 2016-09-30 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | ~{N}-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide |
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![7HT 7HT](https://data.pdbj.org/pdbjplus/data/cc/svg/7HT.svg) | 7HT | Name: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone | Formula: | C28 H37 N6 O | SMILES: | C[CH]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23)[CH](C[NH2+]1)Cn5cc(C)cn5 | InChi: | InChI=1S/C28H36N6O/c1-20-12-31-33(15-20)17-24-13-29-21(2)16-32(24)18-27(35)34-19-28(3,4)25-14-30-23(11-26(25)34)10-22-8-6-5-7-9-22/h5-9,11-12,14-15,21,24,29H,10,13,16-19H2,1-4H3/p+1/t21-,24-/m1/s1 | Definition date: | 2016-11-01 | Last modified: | 2017-06-21 | Release date: | 2017-05-24 | Identifier: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone |
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![JC2 JC2](https://data.pdbj.org/pdbjplus/data/cc/svg/JC2.svg) | JC2 | Name: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid | Formula: | C19 H31 N4 O7 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCN)C(O)=O | InChi: | InChI=1S/C19H31N4O7P/c1-13(2)10-16(17(24)22-15(8-9-20)18(25)26)23-31(28,29)12-21-19(27)30-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,20H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/t15-,16-/m0/s1 | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid |
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![YE2 YE2](https://data.pdbj.org/pdbjplus/data/cc/svg/YE2.svg) | YE2 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | Formula: | C29 H42 N7 O19 P3 S | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(O)=Cc4cc(O)cc(O)c4 | InChi: | InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-10,13-14,18,22-24,28,37-38,40-42H,3-6,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/b20-9+/t18-,22-,23-,24+,28-/m1/s1 | Definition date: | 2016-06-02 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate |
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![7XD 7XD](https://data.pdbj.org/pdbjplus/data/cc/svg/7XD.svg) | 7XD | Name: | 1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea | Formula: | C27 H22 N4 O2 | SMILES: | Oc1c(cccc1c2cccc(CNC(=O)Nc3ccccc3)c2)c4[nH]c5ccncc5c4 | InChi: | InChI=1S/C27H22N4O2/c32-26-22(10-5-11-23(26)25-15-20-17-28-13-12-24(20)31-25)19-7-4-6-18(14-19)16-29-27(33)30-21-8-2-1-3-9-21/h1-15,17,31-32H,16H2,(H2,29,30,33) | Definition date: | 2016-12-09 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea |
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![7XJ 7XJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7XJ.svg) | 7XJ | Name: | 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea | Formula: | C17 H16 N4 O | SMILES: | Nc1nccc2cc(NC(=O)NCc3ccccc3)ccc12 | InChi: | InChI=1S/C17H16N4O/c18-16-15-7-6-14(10-13(15)8-9-19-16)21-17(22)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)(H2,20,21,22) | Definition date: | 2016-12-09 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea |
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![7XM 7XM](https://data.pdbj.org/pdbjplus/data/cc/svg/7XM.svg) | 7XM | Name: | isoquinoline-1,6-diamine | Formula: | C9 H9 N3 | SMILES: | Nc1ccc2c(ccnc2N)c1 | InChi: | InChI=1S/C9H9N3/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,10H2,(H2,11,12) | Definition date: | 2016-12-09 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | isoquinoline-1,6-diamine |
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